propan-2-yl 4-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 4-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[1-(4-chlorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[[1-(4-chlorophenyl)sulfonylisonipecotoyl]amino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C21H27ClN4O5S MolecularWeight: 482.98088

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H27ClN4O5S/c1-4-25-13-18(19(24-25)21(28)31-14(2)3)23-20(27)15-9-11-26(12-10-15)32(29,30)17-7-5-16(22)6-8-17/h5-8,13-15H,4,9-12H2,1-3H3,(H,23,27)